Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate
Basic information
- CAS
17952-98-6- Standard SMILES
COC(=O)C1=[N+]([O-])[N+]([O-])=C(C(=O)OC)C1=O- InChIKey
FDSGBUOTAIYGID-UHFFFAOYSA-N- Molecular formula
- C7H6N2O7
- Average molar mass
- 230.13 g/mol
- Monoisotopic mass
- 230.01750053
Names & identifiers
- Preferred name
- Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylate
- IUPAC
- dimethyl 1,2-dioxido-4-oxopyrazole-1,2-diium-3,5-dicarboxylate
Names & synonyms
17952-98-6DTXSID60311028Dimethyl 1,2,4-trioxo-4H-1lambda~5~,2lambda~5~-pyrazole-3,5-dicarboxylateRefChem:338430DTXCID30262154NSC236245NSC-236245
Database identifiers
- CAS
17952-98-6- PubChem CID
- 314947
- DTXSID
DTXSID60311028- Nikkaji
- J590.192H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 408
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Related reactions
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Compound notes
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